Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a57adc8d7fc299ef3b86ad9eefe4669d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 75.313,
"b": 127.975,
"c": 139.215,
"alpha": 90.00,
"beta": 92.91,
"gamma": 90.00
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [75.220,2.500],
"number_observations": 300129,
"number_observations_unique": 91016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.560,2.500],
"number_observations": 22438,
"number_observations_unique": 6689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.863
},
{
"type": "R(meas)",
"value": 1.027
},
{
"type": "R(pim)",
"value": 0.552
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.546
}
]
},
{
"resolution_limits": [75.220,11.180],
"number_observations": 3295,
"number_observations_unique": 1071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 26.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
}
]
}